(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one

C22H25N3O2 — CID 95550739

IUPAC(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC[C@@H](C(=O)N2CCC(c3ccccc3)(c3ccccc3)CC2)N1
InChIInChI=1S/C22H25N3O2/c26-20-16-23-15-19(24-20)21(27)25-13-11-22(12-14-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,24,26)/t19-/m0/s1
InChIKeyGQTZTEQDLVEUGR-IBGZPJMESA-N
MW363.46 g/mol
LogP1.68
Rot. Bonds3

About (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one

(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one (PubChem CID 95550739) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
PubChem CID95550739
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC[C@@H](C(=O)N2CCC(c3ccccc3)(c3ccccc3)CC2)N1
InChIInChI=1S/C22H25N3O2/c26-20-16-23-15-19(24-20)21(27)25-13-11-22(12-14-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,24,26)/t19-/m0/s1
InChIKeyGQTZTEQDLVEUGR-IBGZPJMESA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Banyu CPTP
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1-Piperidineacetamide, N-(diphenylmethyl)-
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3,6-Dibenzyl-2,5-dioxopiperazine
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N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
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2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(3-phenylpropyl)acetamide
CID 23723417
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CID 5096408
N-((1-phenylcyclopentyl)methyl)-2-(piperidin-1-yl)acetamide hydrochloride
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(2S)-N-((2R)-1-(4-(tert-Butylcarbamoyl)-4-cyclohexylpiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl)-4-methylpiperazine-2-carboxamide
CID 6918813

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one (CID 95550739) is (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one is O=C1CNC[C@@H](C(=O)N2CCC(c3ccccc3)(c3ccccc3)CC2)N1.
What is the InChIKey of (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one?
The InChIKey is GQTZTEQDLVEUGR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20-16-23-15-19(24-20)21(27)25-13-11-22(12-14-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,24,26)/t19-/m0/s1.
What are the key properties of (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one?
(6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one has a molecular weight of 363.46 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 95550739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).